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DocumentationIdentifier: MM452655
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM452655 |
| SMILES |
CCC=CN=CNCCO
|
| InChIKey |
KKOTUHWTHANGCS-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM92251
Similarity: 0.8356
Similarity to MM92251
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9141 |
| Dice metric | 0.9104 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290437
Similarity: 0.7683
Similarity to MM290437
| Tanimoto metric | 0.7683 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.869 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452647
Similarity: 0.7108
Similarity to MM452647
| Tanimoto metric | 0.7108 |
|---|---|
| Cosine metric | 0.8313 |
| Dice metric | 0.831 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+168 more
